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METHYL-3-OXOCYCLOHEPTENE-2-CARBOXYLATE

View entire compound with spectra: 1 NMR

METHYL-3-OXOCYCLOHEPTENE-2-CARBOXYLATE
SpectraBase Compound ID GTfBaPVr9W7
InChI InChI=1S/C9H12O3/c1-12-9(11)7-5-3-2-4-6-8(7)10/h5H,2-4,6H2,1H3
InChIKey UNKNYSCZBWOGBE-UHFFFAOYSA-N
Mol Weight 168.19 g/mol
Molecular Formula C9H12O3
Exact Mass 168.078644 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1FPg4AFX6vj
Name METHYL-3-OXOCYCLOHEPTENE-2-CARBOXYLATE
Compound Number 1B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H12O3
InChI InChI=1S/C9H12O3/c1-12-9(11)7-5-3-2-4-6-8(7)10/h5H,2-4,6H2,1H3
InChIKey UNKNYSCZBWOGBE-UHFFFAOYSA-N
Literature Reference Author J.CHRISTOFFERS
Literature Reference Citation J.ORG.CHEM.,63,4539(1998)
Literature Reference DOI 10.1021/jo9802832
Molecular Weight 168.192 g/mol
Sample ID 28520
Solvent CDCl3